Basic information
- Standard SMILES
COc1cc(-n2[nH]cc(-n3ccnn3)c2=O)ncn1.Cl- InChIKey
GBBVMHMPOYDIHQ-UHFFFAOYSA-N- Molecular formula
- C10H10ClN7O2
- Average molar mass
- 295.68 g/mol
Names & identifiers
- Preferred name
- 2-(6-Methoxypyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one hydrochloride
- IUPAC
- 2-(6-methoxypyrimidin-4-yl)-4-(triazol-1-yl)-1H-pyrazol-3-one;hydrochloride
Names & synonyms
SCHEMBL2567170GBBVMHMPOYDIHQ-UHFFFAOYSA-N2-(6-Methoxypyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1,2-dihydro-3H-pyrazol-3-one hydrochloride
Database identifiers
- PubChem CID
- 67454780
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
4 records
Compound notes
Loading…